sodium 7-[2-[2-[[ethanoyl(methyl)carbamoyl]amino]phenyl]ethanoylamino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 7-[2-[2-[[ethanoyl(methyl)carbamoyl]amino]phenyl]ethanoylamino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 7-[[2-[2-[[acetyl(methyl)carbamoyl]amino]phenyl]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 7-[[2-[2-[[[acetyl(methyl)amino]-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 7-[[2-[2-[[acetyl(methyl)carbamoyl]amino]phenyl]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 7-[[2-[2-[[acetyl(methyl)carbamoyl]amino]phenyl]acetyl]amino]-8-keto-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C22H23N8NaO6S2 MolecularWeight: 582.58779

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C(=O)NC1=CC=CC=C1CC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)N(C)C(=O)NC1=CC=CC=C1CC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)[O-].[Na+]

InChI

InChI=1S/C22H24N8O6S2.Na/c1-11(31)28(2)21(36)23-14-7-5-4-6-12(14)8-15(32)24-16-18(33)30-17(20(34)35)13(9-37-19(16)30)10-38-22-25-26-27-29(22)3;/h4-7,16,19H,8-10H2,1-3H3,(H,23,36)(H,24,32)(H,34,35);/q;+1/p-1